N-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide

C31H43N3O3 — CID 70385298

IUPACN-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCN1CCN(CCCNC(=O)C=Cc3ccccc3)CC1)O2
InChIInChI=1S/C31H43N3O3/c1-23-24(2)30-27(25(3)29(23)36)13-14-31(4,37-30)15-18-34-21-19-33(20-22-34)17-8-16-32-28(35)12-11-26-9-6-5-7-10-26/h5-7,9-12,36H,8,13-22H2,1-4H3,(H,32,35)
InChIKeyCFSZMVBHMAEXKD-UHFFFAOYSA-N
MW505.70 g/mol
LogP4.63
Rot. Bonds9

About N-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide

N-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide (PubChem CID 70385298) has the molecular formula C31H43N3O3 and a molecular weight of 505.70 g/mol. Its IUPAC name is N-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide
PubChem CID70385298
Molecular FormulaC31H43N3O3
Molecular Weight505.70 g/mol
Exact Mass505.33
IUPAC NameN-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CCN1CCN(CCCNC(=O)C=Cc3ccccc3)CC1)O2
InChIInChI=1S/C31H43N3O3/c1-23-24(2)30-27(25(3)29(23)36)13-14-31(4,37-30)15-18-34-21-19-33(20-22-34)17-8-16-32-28(35)12-11-26-9-6-5-7-10-26/h5-7,9-12,36H,8,13-22H2,1-4H3,(H,32,35)
InChIKeyCFSZMVBHMAEXKD-UHFFFAOYSA-N
XLogP4.63
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.70
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5,7,8-tetramethyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydrochromen-6-ol
CID 139676968
diphenylmethanol;2,5,7,8-tetramethyl-2-(2-piperazin-1-ylethyl)-3,4-dihydrochromen-6-ol;hydrochloride
CID 67799476
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
6-hydroxy-2,5,7,8-tetramethyl-N-(3-morpholin-4-ylpropyl)-3,4-dihydrochromene-2-carboxamide
CID 67262981
10-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)decyl-triphenylphosphanium
CID 132554822
2,2-bis[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]butanedioic acid
CID 70487908
(E)-3-(4-chlorophenyl)-N-[3-[4-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6034169
(2R)-2,5,7,8-tetramethyl-2-[9-(triazol-2-yl)nonyl]-3,4-dihydrochromen-6-ol
CID 25119045
(E)-but-2-enedioic acid;(2R)-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CID 174773601
(E)-3-(4-nitrophenyl)-N-[3-[4-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6075459
3-(3-chlorophenyl)-N-[3-[4-[3-[3-(3-chlorophenyl)prop-2-enoylamino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 3586028
(E)-3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]prop-2-enamide
CID 110440061

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide?
The IUPAC name of N-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide (CID 70385298) is N-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide.
What is the SMILES notation for N-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide?
The canonical SMILES for N-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide is Cc1c(C)c2c(c(C)c1O)CCC(C)(CCN1CCN(CCCNC(=O)C=Cc3ccccc3)CC1)O2.
What is the InChIKey of N-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide?
The InChIKey is CFSZMVBHMAEXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3O3/c1-23-24(2)30-27(25(3)29(23)36)13-14-31(4,37-30)15-18-34-21-19-33(20-22-34)17-8-16-32-28(35)12-11-26-9-6-5-7-10-26/h5-7,9-12,36H,8,13-22H2,1-4H3,(H,32,35).
What are the key properties of N-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide?
N-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide has a molecular weight of 505.70 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl]piperazin-1-yl]propyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 70385298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).